4'-Thio-3'-deoxythymidine
TL;DR: 4'-Thio-3'-deoxythymidine (CAS 137819-79-5) is a chemical compound with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,5S)-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 4'-ThiodT, 4'-Thio-3'-deoxythymidine, 3'-Deoxy-4'-thiothymidine, 1-[(2R,5S)-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione, 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-dione
| Molecular Formula | C10H14N2O3S |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.07251 |
| Heavy Atoms | 16 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 137819-79-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](S2)CO |
| InChIKey | AWQMUZPJUKKIPU-JGVFFNPUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Thio-3'-deoxythymidine (CAS 137819-79-5), with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol. IUPAC: 1-[(2R,5S)-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 4'-Thio-3'-deoxythymidine
Property Insights of 4'-Thio-3'-deoxythymidine
The XLogP value of -0.9 indicates that 4'-Thio-3'-deoxythymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Thio-3'-deoxythymidine. Following Lipinski's Rule of Five, 4'-Thio-3'-deoxythymidine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-Thio-3'-deoxythymidine?
The CAS number of 4'-Thio-3'-deoxythymidine is 137819-79-5.
What is the molecular formula of 4'-Thio-3'-deoxythymidine?
The molecular formula of 4'-Thio-3'-deoxythymidine is C10H14N2O3S.
What is the molecular weight of 4'-Thio-3'-deoxythymidine?
The molecular weight of 4'-Thio-3'-deoxythymidine is 242.07 g/mol.
Where can I buy 4'-Thio-3'-deoxythymidine?
You can request a quote for 4'-Thio-3'-deoxythymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Thio-3'-deoxythymidine?
Yes, KEHONG BIO provides custom synthesis services for 4'-Thio-3'-deoxythymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.